1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pentan-3-yl-pyridin-1-ium

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pentan-3-yl-pyridin-1-ium Openeye Name: 4-(1-ethylpropyl)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pentan-3-ylpyridin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pentan-3-ylpyridin-1-ium Traditional Name: 4-(1-ethylpropyl)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H23N2O4/c1-3-14(4-2)15-5-7-20(8-6-15)11-16-9-18(21(22)23)10-17-12-24-13-25-19(16)17/h5-10,14H,3-4,11-13H2,1-2H3/q+1